diff --git a/include/integratorxx/atomic_densities/SlaterAtomicShell.hpp b/include/integratorxx/atomic_densities/SlaterAtomicShell.hpp index 4974399..f0f30e2 100644 --- a/include/integratorxx/atomic_densities/SlaterAtomicShell.hpp +++ b/include/integratorxx/atomic_densities/SlaterAtomicShell.hpp @@ -41,7 +41,6 @@ class SlaterTypeAtomicShell { beta_occupations_(beta_occupations) { // Size checks assert(exponents_.size() == quantum_numbers_.size()); - assert(exponents_.size() == orbital_coefficients_.size()); assert(alpha_occupations_.size() * exponents_.size() == orbital_coefficients_.size()); assert(beta_occupations_.size() * exponents_.size() == @@ -50,8 +49,8 @@ class SlaterTypeAtomicShell { normalization_.resize(exponents_.size()); for(size_t ix = 0; ix < exponents_.size(); ix++) { normalization_[ix] = - std::pow(2.0 * exponents_[ix], quantum_numbers_[ix] + 0.5) * - IntegratorXX::factorial(2 * quantum_numbers_[ix]); + std::pow(2.0 * exponents_[ix], quantum_numbers_[ix] + 0.5) / + std::sqrt(IntegratorXX::factorial(2 * quantum_numbers_[ix])); } };